SCHEMBL4987097

SCHEMBL4987097

CCC(Cc1cccc(C)c1C)CC(CN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
PPARA Q07869 2/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
LMNA P02545 1/20 0.34
CPB2 Q96IY4 1/20 0.34
ESR1 P03372 1/20 0.34
KCNH2 Q12809 1/20 0.34
EPHX2 P34913 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
PSMB1 P20618 1/20 0.32
PSMB5 P28074 1/20 0.32
PSMB2 P49721 1/20 0.32
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4986612 0.89 PPARG (0.48) PPARGNR3C1PGRNR3C2PPARA
SCHEMBL4993579 0.88 CPB2 (0.35) PPARGNR3C1PGRNR3C2PPARA
SCHEMBL4986368 0.87 PPARG (0.37) PPARGNR3C1PGRNR3C2PPARA
SCHEMBL4986561 0.85 PPARG (0.36) PPARGNR3C1PGRNR3C2PPARA
SCHEMBL4993544 0.85 PPARG (0.38) PPARGNR3C1PPARAPTGESALOX5
SCHEMBL4990975 0.84 SCN4A (0.38) PPARGPPARAPTGESALOX5CPB2
SCHEMBL4984618 0.82 CPB2 (0.34) PPARGNR3C1PGRNR3C2PPARA
SCHEMBL4987271 0.82 IAPP (0.40) PPARGCPB2
SCHEMBL4988595 0.82 RIPK1 (0.38) PPARGPPARACPB2EPHX2SLC1A3
SCHEMBL4994542 0.81 CPB2 (0.35) PPARGPPARAPTGESALOX5LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 PPARG 1820/4885NR3C1 2261/4885PGR 4588/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885NR3C1 2184/4885PGR 4567/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885NR3C1 2463/4885PGR 4648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.